5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide

C8H11ClN2O4S — CID 64606158

IUPAC5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O4S/c1-5(12)3-11-16(14,15)6-2-7(9)8(13)10-4-6/h2,4-5,11-12H,3H2,1H3,(H,10,13)
InChIKeyJKUVPFXDUGZGRI-UHFFFAOYSA-N
MW266.71 g/mol
LogP-0.31
Rot. Bonds4

About 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606158) has the molecular formula C8H11ClN2O4S and a molecular weight of 266.71 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606158
Molecular FormulaC8H11ClN2O4S
Molecular Weight266.71 g/mol
Exact Mass266.01
IUPAC Name5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O4S/c1-5(12)3-11-16(14,15)6-2-7(9)8(13)10-4-6/h2,4-5,11-12H,3H2,1H3,(H,10,13)
InChIKeyJKUVPFXDUGZGRI-UHFFFAOYSA-N
XLogP-0.31
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606158) is 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is CC(O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is JKUVPFXDUGZGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S/c1-5(12)3-11-16(14,15)6-2-7(9)8(13)10-4-6/h2,4-5,11-12H,3H2,1H3,(H,10,13).
What are the key properties of 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 266.71 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).